5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-N-[2-(methylcarbamoylamino)ethyl]oxolane-2-carboxamide

HCID 330243

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Basic information

CAS: 75930-31-3
Standard SMILES: CNC(=O)NCCNC(=O)C1OC(n2ccc(=O)[nH]c2=O)C(O)C1O
InChIKey: CIGNZGKXVSVSNC-UHFFFAOYSA-N
Molecular formula: C13H19N5O7
Average molar mass: 357.32 g/mol
Monoisotopic mass: 357.12844796

Names & identifiers

Preferred name: 5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-N-[2-(methylcarbamoylamino)ethyl]oxolane-2-carboxamide
IUPAC: 5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-N-[2-(methylcarbamoylamino)ethyl]oxolane-2-carboxamide

Names & synonyms

NSC31731175930-31-3DTXSID80317522NSC-3173115-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxy-N-{2-[(methylcarbamoyl)amino]ethyl}oxolane-2-carboxamide

Database identifiers

CAS: 75930-31-3
PubChem CID: 330243
DTXSID: DTXSID80317522

Properties

Computed structural properties

XLogP: -3.2
Topological polar surface area: 169 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 25
Formal charge: 0
Complexity: 595

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